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Summary Geometry Related PDB entries

PQ0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.36Å	1.40Å	Aromatic
N1	C6	sing	1.35Å	1.40Å	Aromatic
N1	HN1	sing	0.97Å	1.02Å
C2	N3	doub	1.31Å	1.31Å	Aromatic
C2	N2	sing	1.37Å	1.29Å
N3	C4	sing	1.34Å	1.48Å	Aromatic
C4	C5	doub	1.40Å	1.35Å	Aromatic
C4	N9	sing	1.37Å	1.29Å	Aromatic
C5	C6	sing	1.41Å	1.49Å	Aromatic
C5	C7	sing	1.47Å	1.47Å	Aromatic
C6	O6	doub	1.22Å	1.21Å
C7	C10	sing	1.43Å	1.42Å
C7	C8	doub	1.36Å	1.32Å	Aromatic
C10	N11	trip	1.14Å	1.17Å
C8	N9	sing	1.36Å	1.29Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
N9	HN9	sing	0.97Å	1.02Å
N2	HN21	sing	0.97Å	1.02Å
N2	HN22	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C6	122.2°	120.1°
C2	N1	HN1	119.2°	119.9°
N1	C2	N3	120.0°	122.1°
N1	C2	N2	118.3°	119.0°
C6	N1	HN1	118.6°	119.9°
N1	C6	C5	118.0°	118.2°
N1	C6	O6	123.8°	120.9°
N3	C2	N2	121.7°	119.0°
C2	N3	C4	121.0°	121.3°
C2	N2	HN21	109.0°	120.0°
C2	N2	HN22	118.3°	120.0°
N3	C4	C5	120.7°	119.1°
N3	C4	N9	129.7°	133.3°
C5	C4	N9	109.6°	107.6°
C4	C5	C6	118.0°	119.2°
C4	C5	C7	103.5°	106.2°
C4	N9	C8	111.7°	110.5°
C4	N9	HN9	124.2°	124.7°
C6	C5	C7	138.5°	134.6°
C5	C6	O6	118.2°	120.9°
C5	C7	C10	127.2°	127.0°
C5	C7	C8	105.5°	106.2°
C10	C7	C8	127.3°	126.8°
C7	C10	N11	174.2°	179.9°
C7	C8	N9	109.8°	109.5°
C7	C8	H8	125.9°	125.3°
N9	C8	H8	124.4°	125.3°
C8	N9	HN9	124.2°	124.7°
HN21	N2	HN22	109.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	C6	HN1	180.0°	179.7°
N1	C2	N3	N2	180.0°	179.8°
N1	C2	N3	C4	0.1°	0.3°
C2	N1	C6	C5	0.1°	0.3°
C2	N1	C6	O6	179.9°	179.8°
N1	C2	N2	HN21	54.8°	179.7°
N1	C2	N2	HN22	180.0°	0.5°
C6	N1	C2	N3	0.2°	0.4°
C6	N1	C2	N2	179.8°	179.8°
N1	C6	C5	C4	0.0°	0.1°
N1	C6	C5	O6	180.0°	179.9°
N1	C6	C5	C7	179.8°	179.9°
HN1	N1	C2	N3	179.8°	179.9°
HN1	N1	C2	N2	0.2°	0.2°
HN1	N1	C6	C5	179.9°	180.0°
HN1	N1	C6	O6	0.2°	0.1°
C2	N3	C4	C5	0.1°	0.1°
C2	N3	C4	N9	180.0°	179.9°
N3	C2	N2	HN21	125.2°	0.0°
N3	C2	N2	HN22	0.0°	179.7°
N2	C2	N3	C4	179.9°	180.0°
C2	N2	HN21	HN22	130.5°	179.7°
N3	C4	C5	N9	179.9°	180.0°
N3	C4	C5	C6	0.1°	0.0°
N3	C4	C5	C7	179.8°	180.0°
N3	C4	N9	C8	179.8°	180.0°
N3	C4	N9	HN9	0.2°	0.1°
C4	C5	C6	C7	179.9°	180.0°
C4	C5	C6	O6	180.0°	180.0°
C4	C5	C7	C10	179.5°	180.0°
C4	C5	C7	C8	0.2°	0.0°
C5	C4	N9	C8	0.1°	0.0°
C5	C4	N9	HN9	179.9°	179.9°
N9	C4	C5	C6	180.0°	180.0°
N9	C4	C5	C7	0.1°	0.0°
C4	N9	C8	C7	0.1°	0.0°
C4	N9	C8	HN9	180.0°	179.9°
C4	N9	C8	H8	179.9°	180.0°
C6	C5	C7	C10	0.4°	0.0°
C6	C5	C7	C8	180.0°	180.0°
C7	C5	C6	O6	0.1°	0.0°
C5	C7	C10	C8	179.6°	180.0°
C5	C7	C10	N11	94.1°	0.0°
C5	C7	C8	N9	0.1°	0.0°
C5	C7	C8	H8	179.9°	180.0°
C10	C7	C8	N9	179.5°	180.0°
C10	C7	C8	H8	0.5°	0.0°
C8	C7	C10	N11	85.6°	180.0°
C7	C8	N9	H8	180.0°	180.0°
C7	C8	N9	HN9	179.9°	179.9°
H8	C8	N9	HN9	0.1°	0.1°

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